################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50108 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50108 1 3 '2D 1H-13C HSQC aliphatic constant time' . . . 50108 1 4 '2D 1H-13C HSQC aromatic constant time' . . . 50108 1 6 '3D CBCANH' . . . 50108 1 7 '3D CBCA(CO)NH' . . . 50108 1 8 '3D HBHANH' . . . 50108 1 9 '3D HBHA(CO)NH' . . . 50108 1 10 '3D [1H-13C-1H] HCCH-COSY' . . . 50108 1 11 '3D [1H-13C-1H] HCCH-TOCSY' . . . 50108 1 12 '3D [13C-13C-1H] HCCH-TOCSY' . . . 50108 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 50108 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PRO HA H 1 4.492 0.02 . 1 . . . . . 688 PRO HA . 50108 1 2 . 1 . 1 2 2 PRO HB2 H 1 2.341 0.02 . 2 . . . . . 688 PRO HB2 . 50108 1 3 . 1 . 1 2 2 PRO HB3 H 1 1.972 0.02 . 2 . . . . . 688 PRO HB3 . 50108 1 4 . 1 . 1 2 2 PRO HG2 H 1 2.040 0.02 . 2 . . . . . 688 PRO HG2 . 50108 1 5 . 1 . 1 2 2 PRO HD2 H 1 4.140 0.02 . 2 . . . . . 688 PRO HD2 . 50108 1 6 . 1 . 1 2 2 PRO HD3 H 1 3.605 0.02 . 2 . . . . . 688 PRO HD3 . 50108 1 7 . 1 . 1 2 2 PRO CA C 13 63.178 0.1 . 1 . . . . . 688 PRO CA . 50108 1 8 . 1 . 1 2 2 PRO CB C 13 32.343 0.1 . 1 . . . . . 688 PRO CB . 50108 1 9 . 1 . 1 2 2 PRO CG C 13 27.114 0.1 . 1 . . . . . 688 PRO CG . 50108 1 10 . 1 . 1 2 2 PRO CD C 13 49.749 0.1 . 1 . . . . . 688 PRO CD . 50108 1 11 . 1 . 1 3 3 LEU H H 1 8.590 0.02 . 1 . . . . . 689 LEU HN . 50108 1 12 . 1 . 1 3 3 LEU HA H 1 4.367 0.02 . 1 . . . . . 689 LEU HA . 50108 1 13 . 1 . 1 3 3 LEU HB2 H 1 1.711 0.02 . 2 . . . . . 689 LEU HB2 . 50108 1 14 . 1 . 1 3 3 LEU HB3 H 1 1.635 0.02 . 2 . . . . . 689 LEU HB3 . 50108 1 15 . 1 . 1 3 3 LEU HD11 H 1 0.963 0.02 . 2 . . . . . 689 LEU HD1 . 50108 1 16 . 1 . 1 3 3 LEU HD12 H 1 0.963 0.02 . 2 . . . . . 689 LEU HD1 . 50108 1 17 . 1 . 1 3 3 LEU HD13 H 1 0.963 0.02 . 2 . . . . . 689 LEU HD1 . 50108 1 18 . 1 . 1 3 3 LEU HD21 H 1 0.917 0.02 . 2 . . . . . 689 LEU HD2 . 50108 1 19 . 1 . 1 3 3 LEU HD22 H 1 0.917 0.02 . 2 . . . . . 689 LEU HD2 . 50108 1 20 . 1 . 1 3 3 LEU HD23 H 1 0.917 0.02 . 2 . . . . . 689 LEU HD2 . 50108 1 21 . 1 . 1 3 3 LEU CA C 13 55.500 0.1 . 1 . . . . . 689 LEU CA . 50108 1 22 . 1 . 1 3 3 LEU CB C 13 42.155 0.1 . 1 . . . . . 689 LEU CB . 50108 1 23 . 1 . 1 3 3 LEU CG C 13 27.078 0.1 . 1 . . . . . 689 LEU CG . 50108 1 24 . 1 . 1 3 3 LEU CD1 C 13 24.938 0.1 . 2 . . . . . 689 LEU CD1 . 50108 1 25 . 1 . 1 3 3 LEU CD2 C 13 23.511 0.1 . 2 . . . . . 689 LEU CD2 . 50108 1 26 . 1 . 1 3 3 LEU N N 15 122.226 0.1 . 1 . . . . . 689 LEU N . 50108 1 27 . 1 . 1 4 4 GLY H H 1 8.470 0.02 . 1 . . . . . 690 GLY HN . 50108 1 28 . 1 . 1 4 4 GLY HA2 H 1 4.074 0.02 . 2 . . . . . 690 GLY HA1 . 50108 1 29 . 1 . 1 4 4 GLY HA3 H 1 3.979 0.02 . 2 . . . . . 690 GLY HA2 . 50108 1 30 . 1 . 1 4 4 GLY CA C 13 45.350 0.1 . 1 . . . . . 690 GLY CA . 50108 1 31 . 1 . 1 4 4 GLY N N 15 110.236 0.1 . 1 . . . . . 690 GLY N . 50108 1 32 . 1 . 1 5 5 SER H H 1 8.232 0.02 . 1 . . . . . 691 SER HN . 50108 1 33 . 1 . 1 5 5 SER HA H 1 4.590 0.02 . 1 . . . . . 691 SER HA . 50108 1 34 . 1 . 1 5 5 SER HB2 H 1 3.960 0.02 . 2 . . . . . 691 SER HB2 . 50108 1 35 . 1 . 1 5 5 SER HB3 H 1 3.886 0.02 . 2 . . . . . 691 SER HB3 . 50108 1 36 . 1 . 1 5 5 SER CA C 13 58.309 0.1 . 1 . . . . . 691 SER CA . 50108 1 37 . 1 . 1 5 5 SER CB C 13 64.157 0.1 . 1 . . . . . 691 SER CB . 50108 1 38 . 1 . 1 5 5 SER N N 15 115.716 0.1 . 1 . . . . . 691 SER N . 50108 1 39 . 1 . 1 6 6 THR H H 1 8.388 0.02 . 1 . . . . . 692 THR HN . 50108 1 40 . 1 . 1 6 6 THR HA H 1 4.438 0.02 . 1 . . . . . 692 THR HA . 50108 1 41 . 1 . 1 6 6 THR HB H 1 4.344 0.02 . 1 . . . . . 692 THR HB . 50108 1 42 . 1 . 1 6 6 THR HG21 H 1 1.234 0.02 . 1 . . . . . 692 THR HG2 . 50108 1 43 . 1 . 1 6 6 THR HG22 H 1 1.234 0.02 . 1 . . . . . 692 THR HG2 . 50108 1 44 . 1 . 1 6 6 THR HG23 H 1 1.234 0.02 . 1 . . . . . 692 THR HG2 . 50108 1 45 . 1 . 1 6 6 THR CA C 13 62.054 0.1 . 1 . . . . . 692 THR CA . 50108 1 46 . 1 . 1 6 6 THR CB C 13 69.841 0.1 . 1 . . . . . 692 THR CB . 50108 1 47 . 1 . 1 6 6 THR CG2 C 13 21.643 0.1 . 1 . . . . . 692 THR CG2 . 50108 1 48 . 1 . 1 6 6 THR N N 15 115.610 0.1 . 1 . . . . . 692 THR N . 50108 1 49 . 1 . 1 7 7 GLU H H 1 8.474 0.02 . 1 . . . . . 693 GLU HN . 50108 1 50 . 1 . 1 7 7 GLU HA H 1 4.302 0.02 . 1 . . . . . 693 GLU HA . 50108 1 51 . 1 . 1 7 7 GLU HB2 H 1 2.097 0.02 . 2 . . . . . 693 GLU HB2 . 50108 1 52 . 1 . 1 7 7 GLU HB3 H 1 1.947 0.02 . 2 . . . . . 693 GLU HB3 . 50108 1 53 . 1 . 1 7 7 GLU HG2 H 1 2.291 0.02 . 2 . . . . . 693 GLU HG2 . 50108 1 54 . 1 . 1 7 7 GLU HG3 H 1 2.084 0.02 . 2 . . . . . 693 GLU HG3 . 50108 1 55 . 1 . 1 7 7 GLU CA C 13 57.004 0.1 . 1 . . . . . 693 GLU CA . 50108 1 56 . 1 . 1 7 7 GLU CB C 13 30.201 0.1 . 1 . . . . . 693 GLU CB . 50108 1 57 . 1 . 1 7 7 GLU CG C 13 36.503 0.1 . 1 . . . . . 693 GLU CG . 50108 1 58 . 1 . 1 7 7 GLU N N 15 122.514 0.1 . 1 . . . . . 693 GLU N . 50108 1 59 . 1 . 1 8 8 GLU H H 1 8.343 0.02 . 1 . . . . . 694 GLU HN . 50108 1 60 . 1 . 1 8 8 GLU HA H 1 4.262 0.02 . 1 . . . . . 694 GLU HA . 50108 1 61 . 1 . 1 8 8 GLU HB2 H 1 2.076 0.02 . 2 . . . . . 694 GLU HB2 . 50108 1 62 . 1 . 1 8 8 GLU HB3 H 1 1.932 0.02 . 2 . . . . . 694 GLU HB3 . 50108 1 63 . 1 . 1 8 8 GLU HG2 H 1 2.298 0.02 . 2 . . . . . 694 GLU HG2 . 50108 1 64 . 1 . 1 8 8 GLU HG3 H 1 2.255 0.02 . 2 . . . . . 694 GLU HG3 . 50108 1 65 . 1 . 1 8 8 GLU CA C 13 56.745 0.1 . 1 . . . . . 694 GLU CA . 50108 1 66 . 1 . 1 8 8 GLU CB C 13 30.458 0.1 . 1 . . . . . 694 GLU CB . 50108 1 67 . 1 . 1 8 8 GLU CG C 13 36.393 0.1 . 1 . . . . . 694 GLU CG . 50108 1 68 . 1 . 1 8 8 GLU N N 15 121.103 0.1 . 1 . . . . . 694 GLU N . 50108 1 69 . 1 . 1 9 9 ASP H H 1 8.352 0.02 . 1 . . . . . 695 ASP HN . 50108 1 70 . 1 . 1 9 9 ASP HA H 1 4.620 0.02 . 1 . . . . . 695 ASP HA . 50108 1 71 . 1 . 1 9 9 ASP HB2 H 1 2.745 0.02 . 2 . . . . . 695 ASP HB2 . 50108 1 72 . 1 . 1 9 9 ASP HB3 H 1 2.618 0.02 . 2 . . . . . 695 ASP HB3 . 50108 1 73 . 1 . 1 9 9 ASP CA C 13 54.513 0.1 . 1 . . . . . 695 ASP CA . 50108 1 74 . 1 . 1 9 9 ASP CB C 13 41.131 0.1 . 1 . . . . . 695 ASP CB . 50108 1 75 . 1 . 1 9 9 ASP N N 15 121.344 0.1 . 1 . . . . . 695 ASP N . 50108 1 76 . 1 . 1 10 10 LEU H H 1 8.176 0.02 . 1 . . . . . 696 LEU HN . 50108 1 77 . 1 . 1 10 10 LEU HA H 1 4.365 0.02 . 1 . . . . . 696 LEU HA . 50108 1 78 . 1 . 1 10 10 LEU HB2 H 1 1.668 0.02 . 2 . . . . . 696 LEU HB2 . 50108 1 79 . 1 . 1 10 10 LEU HB3 H 1 1.607 0.02 . 2 . . . . . 696 LEU HB3 . 50108 1 80 . 1 . 1 10 10 LEU HD11 H 1 0.942 0.02 . 2 . . . . . 696 LEU HD1 . 50108 1 81 . 1 . 1 10 10 LEU HD12 H 1 0.942 0.02 . 2 . . . . . 696 LEU HD1 . 50108 1 82 . 1 . 1 10 10 LEU HD13 H 1 0.942 0.02 . 2 . . . . . 696 LEU HD1 . 50108 1 83 . 1 . 1 10 10 LEU HD21 H 1 0.882 0.02 . 2 . . . . . 696 LEU HD2 . 50108 1 84 . 1 . 1 10 10 LEU HD22 H 1 0.882 0.02 . 2 . . . . . 696 LEU HD2 . 50108 1 85 . 1 . 1 10 10 LEU HD23 H 1 0.882 0.02 . 2 . . . . . 696 LEU HD2 . 50108 1 86 . 1 . 1 10 10 LEU CA C 13 55.145 0.1 . 1 . . . . . 696 LEU CA . 50108 1 87 . 1 . 1 10 10 LEU CB C 13 42.446 0.1 . 1 . . . . . 696 LEU CB . 50108 1 88 . 1 . 1 10 10 LEU CG C 13 26.993 0.1 . 1 . . . . . 696 LEU CG . 50108 1 89 . 1 . 1 10 10 LEU CD1 C 13 25.000 0.1 . 2 . . . . . 696 LEU CD1 . 50108 1 90 . 1 . 1 10 10 LEU CD2 C 13 23.485 0.1 . 2 . . . . . 696 LEU CD2 . 50108 1 91 . 1 . 1 10 10 LEU N N 15 122.705 0.1 . 1 . . . . . 696 LEU N . 50108 1 92 . 1 . 1 11 11 GLU H H 1 8.401 0.02 . 1 . . . . . 697 GLU HN . 50108 1 93 . 1 . 1 11 11 GLU HA H 1 4.260 0.02 . 1 . . . . . 697 GLU HA . 50108 1 94 . 1 . 1 11 11 GLU HB2 H 1 2.053 0.02 . 2 . . . . . 697 GLU HB2 . 50108 1 95 . 1 . 1 11 11 GLU HB3 H 1 1.961 0.02 . 2 . . . . . 697 GLU HB3 . 50108 1 96 . 1 . 1 11 11 GLU HG2 H 1 2.297 0.02 . 2 . . . . . 697 GLU HG2 . 50108 1 97 . 1 . 1 11 11 GLU HG3 H 1 2.261 0.02 . 2 . . . . . 697 GLU HG3 . 50108 1 98 . 1 . 1 11 11 GLU CA C 13 56.780 0.1 . 1 . . . . . 697 GLU CA . 50108 1 99 . 1 . 1 11 11 GLU CB C 13 30.421 0.1 . 1 . . . . . 697 GLU CB . 50108 1 100 . 1 . 1 11 11 GLU CG C 13 36.303 0.1 . 1 . . . . . 697 GLU CG . 50108 1 101 . 1 . 1 11 11 GLU N N 15 121.935 0.1 . 1 . . . . . 697 GLU N . 50108 1 102 . 1 . 1 12 12 ASP H H 1 8.390 0.02 . 1 . . . . . 698 ASP HN . 50108 1 103 . 1 . 1 12 12 ASP HA H 1 4.603 0.02 . 1 . . . . . 698 ASP HA . 50108 1 104 . 1 . 1 12 12 ASP HB2 H 1 2.716 0.02 . 2 . . . . . 698 ASP HB2 . 50108 1 105 . 1 . 1 12 12 ASP HB3 H 1 2.609 0.02 . 2 . . . . . 698 ASP HB3 . 50108 1 106 . 1 . 1 12 12 ASP CA C 13 54.323 0.1 . 1 . . . . . 698 ASP CA . 50108 1 107 . 1 . 1 12 12 ASP CB C 13 41.183 0.1 . 1 . . . . . 698 ASP CB . 50108 1 108 . 1 . 1 12 12 ASP N N 15 121.805 0.1 . 1 . . . . . 698 ASP N . 50108 1 109 . 1 . 1 13 13 ALA H H 1 8.238 0.02 . 1 . . . . . 699 ALA HN . 50108 1 110 . 1 . 1 13 13 ALA HA H 1 4.343 0.02 . 1 . . . . . 699 ALA HA . 50108 1 111 . 1 . 1 13 13 ALA HB1 H 1 1.419 0.02 . 1 . . . . . 699 ALA HB . 50108 1 112 . 1 . 1 13 13 ALA HB2 H 1 1.419 0.02 . 1 . . . . . 699 ALA HB . 50108 1 113 . 1 . 1 13 13 ALA HB3 H 1 1.419 0.02 . 1 . . . . . 699 ALA HB . 50108 1 114 . 1 . 1 13 13 ALA CA C 13 52.579 0.1 . 1 . . . . . 699 ALA CA . 50108 1 115 . 1 . 1 13 13 ALA CB C 13 19.644 0.1 . 1 . . . . . 699 ALA CB . 50108 1 116 . 1 . 1 13 13 ALA N N 15 124.772 0.1 . 1 . . . . . 699 ALA N . 50108 1 117 . 1 . 1 14 14 GLU H H 1 8.450 0.02 . 1 . . . . . 700 GLU HN . 50108 1 118 . 1 . 1 14 14 GLU HA H 1 4.264 0.02 . 1 . . . . . 700 GLU HA . 50108 1 119 . 1 . 1 14 14 GLU HB2 H 1 2.069 0.02 . 2 . . . . . 700 GLU HB2 . 50108 1 120 . 1 . 1 14 14 GLU HB3 H 1 1.970 0.02 . 2 . . . . . 700 GLU HB3 . 50108 1 121 . 1 . 1 14 14 GLU HG2 H 1 2.298 0.02 . 2 . . . . . 700 GLU HG2 . 50108 1 122 . 1 . 1 14 14 GLU HG3 H 1 2.241 0.02 . 2 . . . . . 700 GLU HG3 . 50108 1 123 . 1 . 1 14 14 GLU CA C 13 56.752 0.1 . 1 . . . . . 700 GLU CA . 50108 1 124 . 1 . 1 14 14 GLU CB C 13 30.486 0.1 . 1 . . . . . 700 GLU CB . 50108 1 125 . 1 . 1 14 14 GLU CG C 13 36.350 0.1 . 1 . . . . . 700 GLU CG . 50108 1 126 . 1 . 1 14 14 GLU N N 15 120.257 0.1 . 1 . . . . . 700 GLU N . 50108 1 127 . 1 . 1 15 15 ASP H H 1 8.416 0.02 . 1 . . . . . 701 ASP HN . 50108 1 128 . 1 . 1 15 15 ASP HA H 1 4.672 0.02 . 1 . . . . . 701 ASP HA . 50108 1 129 . 1 . 1 15 15 ASP HB2 H 1 2.737 0.02 . 2 . . . . . 701 ASP HB2 . 50108 1 130 . 1 . 1 15 15 ASP HB3 H 1 2.655 0.02 . 2 . . . . . 701 ASP HB3 . 50108 1 131 . 1 . 1 15 15 ASP CA C 13 54.386 0.1 . 1 . . . . . 701 ASP CA . 50108 1 132 . 1 . 1 15 15 ASP CB C 13 41.143 0.1 . 1 . . . . . 701 ASP CB . 50108 1 133 . 1 . 1 15 15 ASP N N 15 121.537 0.1 . 1 . . . . . 701 ASP N . 50108 1 134 . 1 . 1 16 16 THR H H 1 8.138 0.02 . 1 . . . . . 702 THR HN . 50108 1 135 . 1 . 1 16 16 THR HA H 1 4.341 0.02 . 1 . . . . . 702 THR HA . 50108 1 136 . 1 . 1 16 16 THR HB H 1 4.236 0.02 . 1 . . . . . 702 THR HB . 50108 1 137 . 1 . 1 16 16 THR HG21 H 1 1.205 0.02 . 1 . . . . . 702 THR HG2 . 50108 1 138 . 1 . 1 16 16 THR HG22 H 1 1.205 0.02 . 1 . . . . . 702 THR HG2 . 50108 1 139 . 1 . 1 16 16 THR HG23 H 1 1.205 0.02 . 1 . . . . . 702 THR HG2 . 50108 1 140 . 1 . 1 16 16 THR CA C 13 62.082 0.1 . 1 . . . . . 702 THR CA . 50108 1 141 . 1 . 1 16 16 THR CB C 13 69.887 0.1 . 1 . . . . . 702 THR CB . 50108 1 142 . 1 . 1 16 16 THR CG2 C 13 21.615 0.1 . 1 . . . . . 702 THR CG2 . 50108 1 143 . 1 . 1 16 16 THR N N 15 114.855 0.1 . 1 . . . . . 702 THR N . 50108 1 144 . 1 . 1 17 17 VAL H H 1 8.181 0.02 . 1 . . . . . 703 VAL HN . 50108 1 145 . 1 . 1 17 17 VAL HA H 1 4.151 0.02 . 1 . . . . . 703 VAL HA . 50108 1 146 . 1 . 1 17 17 VAL HB H 1 2.112 0.02 . 1 . . . . . 703 VAL HB . 50108 1 147 . 1 . 1 17 17 VAL HG11 H 1 0.970 0.02 . 2 . . . . . 703 VAL HG1 . 50108 1 148 . 1 . 1 17 17 VAL HG12 H 1 0.970 0.02 . 2 . . . . . 703 VAL HG1 . 50108 1 149 . 1 . 1 17 17 VAL HG13 H 1 0.970 0.02 . 2 . . . . . 703 VAL HG1 . 50108 1 150 . 1 . 1 17 17 VAL HG21 H 1 0.945 0.02 . 2 . . . . . 703 VAL HG2 . 50108 1 151 . 1 . 1 17 17 VAL HG22 H 1 0.945 0.02 . 2 . . . . . 703 VAL HG2 . 50108 1 152 . 1 . 1 17 17 VAL HG23 H 1 0.945 0.02 . 2 . . . . . 703 VAL HG2 . 50108 1 153 . 1 . 1 17 17 VAL CA C 13 62.558 0.1 . 1 . . . . . 703 VAL CA . 50108 1 154 . 1 . 1 17 17 VAL CB C 13 32.740 0.1 . 1 . . . . . 703 VAL CB . 50108 1 155 . 1 . 1 17 17 VAL CG1 C 13 20.779 0.1 . 2 . . . . . 703 VAL CG1 . 50108 1 156 . 1 . 1 17 17 VAL CG2 C 13 21.266 0.1 . 2 . . . . . 703 VAL CG2 . 50108 1 157 . 1 . 1 17 17 VAL N N 15 122.859 0.1 . 1 . . . . . 703 VAL N . 50108 1 158 . 1 . 1 18 18 SER H H 1 8.430 0.02 . 1 . . . . . 704 SER HN . 50108 1 159 . 1 . 1 18 18 SER HA H 1 4.449 0.02 . 1 . . . . . 704 SER HA . 50108 1 160 . 1 . 1 18 18 SER HB2 H 1 3.855 0.02 . 2 . . . . . 704 SER HB2 . 50108 1 161 . 1 . 1 18 18 SER CA C 13 58.325 0.1 . 1 . . . . . 704 SER CA . 50108 1 162 . 1 . 1 18 18 SER CB C 13 63.942 0.1 . 1 . . . . . 704 SER CB . 50108 1 163 . 1 . 1 18 18 SER N N 15 119.949 0.1 . 1 . . . . . 704 SER N . 50108 1 164 . 1 . 1 19 19 ALA H H 1 8.329 0.02 . 1 . . . . . 705 ALA HN . 50108 1 165 . 1 . 1 19 19 ALA HA H 1 4.325 0.02 . 1 . . . . . 705 ALA HA . 50108 1 166 . 1 . 1 19 19 ALA HB1 H 1 1.385 0.02 . 1 . . . . . 705 ALA HB . 50108 1 167 . 1 . 1 19 19 ALA HB2 H 1 1.385 0.02 . 1 . . . . . 705 ALA HB . 50108 1 168 . 1 . 1 19 19 ALA HB3 H 1 1.385 0.02 . 1 . . . . . 705 ALA HB . 50108 1 169 . 1 . 1 19 19 ALA CA C 13 52.357 0.1 . 1 . . . . . 705 ALA CA . 50108 1 170 . 1 . 1 19 19 ALA CB C 13 19.329 0.1 . 1 . . . . . 705 ALA CB . 50108 1 171 . 1 . 1 19 19 ALA N N 15 126.558 0.1 . 1 . . . . . 705 ALA N . 50108 1 172 . 1 . 1 20 20 ALA H H 1 8.173 0.02 . 1 . . . . . 706 ALA HN . 50108 1 173 . 1 . 1 20 20 ALA HA H 1 4.305 0.02 . 1 . . . . . 706 ALA HA . 50108 1 174 . 1 . 1 20 20 ALA HB1 H 1 1.357 0.02 . 1 . . . . . 706 ALA HB . 50108 1 175 . 1 . 1 20 20 ALA HB2 H 1 1.357 0.02 . 1 . . . . . 706 ALA HB . 50108 1 176 . 1 . 1 20 20 ALA HB3 H 1 1.357 0.02 . 1 . . . . . 706 ALA HB . 50108 1 177 . 1 . 1 20 20 ALA CA C 13 52.141 0.1 . 1 . . . . . 706 ALA CA . 50108 1 178 . 1 . 1 20 20 ALA CB C 13 19.480 0.1 . 1 . . . . . 706 ALA CB . 50108 1 179 . 1 . 1 20 20 ALA N N 15 123.382 0.1 . 1 . . . . . 706 ALA N . 50108 1 180 . 1 . 1 21 21 ASP H H 1 8.260 0.02 . 1 . . . . . 707 ASP HN . 50108 1 181 . 1 . 1 21 21 ASP HA H 1 4.813 0.02 . 1 . . . . . 707 ASP HA . 50108 1 182 . 1 . 1 21 21 ASP HB2 H 1 2.684 0.02 . 2 . . . . . 707 ASP HB2 . 50108 1 183 . 1 . 1 21 21 ASP HB3 H 1 2.469 0.02 . 2 . . . . . 707 ASP HB3 . 50108 1 184 . 1 . 1 21 21 ASP CA C 13 52.674 0.1 . 1 . . . . . 707 ASP CA . 50108 1 185 . 1 . 1 21 21 ASP CB C 13 40.785 0.1 . 1 . . . . . 707 ASP CB . 50108 1 186 . 1 . 1 21 21 ASP N N 15 121.559 0.1 . 1 . . . . . 707 ASP N . 50108 1 187 . 1 . 1 22 22 PRO HA H 1 4.333 0.02 . 1 . . . . . 708 PRO HA . 50108 1 188 . 1 . 1 22 22 PRO HB2 H 1 2.135 0.02 . 2 . . . . . 708 PRO HB2 . 50108 1 189 . 1 . 1 22 22 PRO HB3 H 1 1.663 0.02 . 2 . . . . . 708 PRO HB3 . 50108 1 190 . 1 . 1 22 22 PRO HG2 H 1 1.975 0.02 . 2 . . . . . 708 PRO HG2 . 50108 1 191 . 1 . 1 22 22 PRO HG3 H 1 1.901 0.02 . 2 . . . . . 708 PRO HG3 . 50108 1 192 . 1 . 1 22 22 PRO HD2 H 1 3.809 0.02 . 2 . . . . . 708 PRO HD2 . 50108 1 193 . 1 . 1 22 22 PRO HD3 H 1 3.671 0.02 . 2 . . . . . 708 PRO HD3 . 50108 1 194 . 1 . 1 22 22 PRO CA C 13 63.030 0.1 . 1 . . . . . 708 PRO CA . 50108 1 195 . 1 . 1 22 22 PRO CB C 13 32.048 0.1 . 1 . . . . . 708 PRO CB . 50108 1 196 . 1 . 1 22 22 PRO CG C 13 27.270 0.1 . 1 . . . . . 708 PRO CG . 50108 1 197 . 1 . 1 22 22 PRO CD C 13 50.631 0.1 . 1 . . . . . 708 PRO CD . 50108 1 198 . 1 . 1 23 23 GLU H H 1 8.326 0.02 . 1 . . . . . 709 GLU HN . 50108 1 199 . 1 . 1 23 23 GLU HA H 1 4.126 0.02 . 1 . . . . . 709 GLU HA . 50108 1 200 . 1 . 1 23 23 GLU HB2 H 1 1.880 0.02 . 2 . . . . . 709 GLU HB2 . 50108 1 201 . 1 . 1 23 23 GLU HB3 H 1 1.800 0.02 . 2 . . . . . 709 GLU HB3 . 50108 1 202 . 1 . 1 23 23 GLU HG2 H 1 2.170 0.02 . 2 . . . . . 709 GLU HG2 . 50108 1 203 . 1 . 1 23 23 GLU HG3 H 1 2.055 0.02 . 2 . . . . . 709 GLU HG3 . 50108 1 204 . 1 . 1 23 23 GLU CA C 13 56.247 0.1 . 1 . . . . . 709 GLU CA . 50108 1 205 . 1 . 1 23 23 GLU CB C 13 30.217 0.1 . 1 . . . . . 709 GLU CB . 50108 1 206 . 1 . 1 23 23 GLU CG C 13 36.298 0.1 . 1 . . . . . 709 GLU CG . 50108 1 207 . 1 . 1 23 23 GLU N N 15 120.474 0.1 . 1 . . . . . 709 GLU N . 50108 1 208 . 1 . 1 24 24 PHE H H 1 7.995 0.02 . 1 . . . . . 710 PHE HN . 50108 1 209 . 1 . 1 24 24 PHE HA H 1 5.201 0.02 . 1 . . . . . 710 PHE HA . 50108 1 210 . 1 . 1 24 24 PHE HB2 H 1 3.334 0.02 . 2 . . . . . 710 PHE HB2 . 50108 1 211 . 1 . 1 24 24 PHE HB3 H 1 2.758 0.02 . 2 . . . . . 710 PHE HB3 . 50108 1 212 . 1 . 1 24 24 PHE HD1 H 1 7.209 0.02 . 1 . . . . . 710 PHE HD . 50108 1 213 . 1 . 1 24 24 PHE HD2 H 1 7.209 0.02 . 1 . . . . . 710 PHE HD . 50108 1 214 . 1 . 1 24 24 PHE HE1 H 1 7.334 0.02 . 1 . . . . . 710 PHE HE . 50108 1 215 . 1 . 1 24 24 PHE HE2 H 1 7.334 0.02 . 1 . . . . . 710 PHE HE . 50108 1 216 . 1 . 1 24 24 PHE HZ H 1 7.126 0.02 . 1 . . . . . 710 PHE HZ . 50108 1 217 . 1 . 1 24 24 PHE CA C 13 56.415 0.1 . 1 . . . . . 710 PHE CA . 50108 1 218 . 1 . 1 24 24 PHE CB C 13 40.705 0.1 . 1 . . . . . 710 PHE CB . 50108 1 219 . 1 . 1 24 24 PHE CD2 C 13 131.874 0.1 . 1 . . . . . 710 PHE CD2 . 50108 1 220 . 1 . 1 24 24 PHE CE2 C 13 131.316 0.1 . 1 . . . . . 710 PHE CE2 . 50108 1 221 . 1 . 1 24 24 PHE CZ C 13 129.375 0.1 . 1 . . . . . 710 PHE CZ . 50108 1 222 . 1 . 1 24 24 PHE N N 15 120.819 0.1 . 1 . . . . . 710 PHE N . 50108 1 223 . 1 . 1 25 25 CYS H H 1 8.216 0.02 . 1 . . . . . 711 CYS HN . 50108 1 224 . 1 . 1 25 25 CYS HA H 1 4.085 0.02 . 1 . . . . . 711 CYS HA . 50108 1 225 . 1 . 1 25 25 CYS HB2 H 1 3.129 0.02 . 2 . . . . . 711 CYS HB2 . 50108 1 226 . 1 . 1 25 25 CYS HB3 H 1 2.853 0.02 . 2 . . . . . 711 CYS HB3 . 50108 1 227 . 1 . 1 25 25 CYS CA C 13 62.396 0.1 . 1 . . . . . 711 CYS CA . 50108 1 228 . 1 . 1 25 25 CYS CB C 13 32.095 0.1 . 1 . . . . . 711 CYS CB . 50108 1 229 . 1 . 1 25 25 CYS N N 15 124.174 0.1 . 1 . . . . . 711 CYS N . 50108 1 230 . 1 . 1 26 26 HIS H H 1 7.777 0.02 . 1 . . . . . 712 HIS HN . 50108 1 231 . 1 . 1 26 26 HIS HA H 1 4.761 0.02 . 1 . . . . . 712 HIS HA . 50108 1 232 . 1 . 1 26 26 HIS HB2 H 1 3.336 0.02 . 2 . . . . . 712 HIS HB2 . 50108 1 233 . 1 . 1 26 26 HIS HB3 H 1 3.269 0.02 . 2 . . . . . 712 HIS HB3 . 50108 1 234 . 1 . 1 26 26 HIS HD2 H 1 7.121 0.02 . 1 . . . . . 712 HIS HD2 . 50108 1 235 . 1 . 1 26 26 HIS HE1 H 1 7.592 0.02 . 1 . . . . . 712 HIS HE1 . 50108 1 236 . 1 . 1 26 26 HIS CA C 13 55.018 0.1 . 1 . . . . . 712 HIS CA . 50108 1 237 . 1 . 1 26 26 HIS CB C 13 29.846 0.1 . 1 . . . . . 712 HIS CB . 50108 1 238 . 1 . 1 26 26 HIS CD2 C 13 120.120 0.1 . 1 . . . . . 712 HIS CD2 . 50108 1 239 . 1 . 1 26 26 HIS CE1 C 13 138.946 0.1 . 1 . . . . . 712 HIS CE1 . 50108 1 240 . 1 . 1 26 26 HIS N N 15 114.888 0.1 . 1 . . . . . 712 HIS N . 50108 1 241 . 1 . 1 27 27 PRO HA H 1 4.257 0.02 . 1 . . . . . 713 PRO HA . 50108 1 242 . 1 . 1 27 27 PRO HB2 H 1 2.466 0.02 . 2 . . . . . 713 PRO HB2 . 50108 1 243 . 1 . 1 27 27 PRO HB3 H 1 1.888 0.02 . 2 . . . . . 713 PRO HB3 . 50108 1 244 . 1 . 1 27 27 PRO HG2 H 1 2.163 0.02 . 2 . . . . . 713 PRO HG2 . 50108 1 245 . 1 . 1 27 27 PRO HG3 H 1 2.035 0.02 . 2 . . . . . 713 PRO HG3 . 50108 1 246 . 1 . 1 27 27 PRO HD2 H 1 3.957 0.02 . 2 . . . . . 713 PRO HD2 . 50108 1 247 . 1 . 1 27 27 PRO HD3 H 1 3.553 0.02 . 2 . . . . . 713 PRO HD3 . 50108 1 248 . 1 . 1 27 27 PRO CA C 13 66.161 0.1 . 1 . . . . . 713 PRO CA . 50108 1 249 . 1 . 1 27 27 PRO CB C 13 32.391 0.1 . 1 . . . . . 713 PRO CB . 50108 1 250 . 1 . 1 27 27 PRO CG C 13 27.972 0.1 . 1 . . . . . 713 PRO CG . 50108 1 251 . 1 . 1 27 27 PRO CD C 13 50.722 0.1 . 1 . . . . . 713 PRO CD . 50108 1 252 . 1 . 1 28 28 LEU H H 1 8.426 0.02 . 1 . . . . . 714 LEU HN . 50108 1 253 . 1 . 1 28 28 LEU HA H 1 4.467 0.02 . 1 . . . . . 714 LEU HA . 50108 1 254 . 1 . 1 28 28 LEU HB2 H 1 1.863 0.02 . 2 . . . . . 714 LEU HB2 . 50108 1 255 . 1 . 1 28 28 LEU HB3 H 1 1.790 0.02 . 2 . . . . . 714 LEU HB3 . 50108 1 256 . 1 . 1 28 28 LEU HG H 1 1.632 0.02 . 1 . . . . . 714 LEU HG . 50108 1 257 . 1 . 1 28 28 LEU HD11 H 1 0.972 0.02 . 2 . . . . . 714 LEU HD1 . 50108 1 258 . 1 . 1 28 28 LEU HD12 H 1 0.972 0.02 . 2 . . . . . 714 LEU HD1 . 50108 1 259 . 1 . 1 28 28 LEU HD13 H 1 0.972 0.02 . 2 . . . . . 714 LEU HD1 . 50108 1 260 . 1 . 1 28 28 LEU HD21 H 1 0.878 0.02 . 2 . . . . . 714 LEU HD2 . 50108 1 261 . 1 . 1 28 28 LEU HD22 H 1 0.878 0.02 . 2 . . . . . 714 LEU HD2 . 50108 1 262 . 1 . 1 28 28 LEU HD23 H 1 0.878 0.02 . 2 . . . . . 714 LEU HD2 . 50108 1 263 . 1 . 1 28 28 LEU CA C 13 53.697 0.1 . 1 . . . . . 714 LEU CA . 50108 1 264 . 1 . 1 28 28 LEU CB C 13 41.197 0.1 . 1 . . . . . 714 LEU CB . 50108 1 265 . 1 . 1 28 28 LEU CG C 13 27.552 0.1 . 1 . . . . . 714 LEU CG . 50108 1 266 . 1 . 1 28 28 LEU CD1 C 13 25.255 0.1 . 2 . . . . . 714 LEU CD1 . 50108 1 267 . 1 . 1 28 28 LEU CD2 C 13 22.769 0.1 . 2 . . . . . 714 LEU CD2 . 50108 1 268 . 1 . 1 28 28 LEU N N 15 116.028 0.1 . 1 . . . . . 714 LEU N . 50108 1 269 . 1 . 1 29 29 CYS H H 1 7.235 0.02 . 1 . . . . . 715 CYS HN . 50108 1 270 . 1 . 1 29 29 CYS HA H 1 3.602 0.02 . 1 . . . . . 715 CYS HA . 50108 1 271 . 1 . 1 29 29 CYS HB2 H 1 3.080 0.02 . 2 . . . . . 715 CYS HB2 . 50108 1 272 . 1 . 1 29 29 CYS HB3 H 1 2.449 0.02 . 2 . . . . . 715 CYS HB3 . 50108 1 273 . 1 . 1 29 29 CYS CA C 13 62.699 0.1 . 1 . . . . . 715 CYS CA . 50108 1 274 . 1 . 1 29 29 CYS CB C 13 31.717 0.1 . 1 . . . . . 715 CYS CB . 50108 1 275 . 1 . 1 29 29 CYS N N 15 124.391 0.1 . 1 . . . . . 715 CYS N . 50108 1 276 . 1 . 1 30 30 GLN H H 1 8.412 0.02 . 1 . . . . . 716 GLN HN . 50108 1 277 . 1 . 1 30 30 GLN HA H 1 4.521 0.02 . 1 . . . . . 716 GLN HA . 50108 1 278 . 1 . 1 30 30 GLN HB2 H 1 2.469 0.02 . 2 . . . . . 716 GLN HB2 . 50108 1 279 . 1 . 1 30 30 GLN HB3 H 1 1.704 0.02 . 2 . . . . . 716 GLN HB3 . 50108 1 280 . 1 . 1 30 30 GLN HG2 H 1 2.382 0.02 . 2 . . . . . 716 GLN HG2 . 50108 1 281 . 1 . 1 30 30 GLN HG3 H 1 2.341 0.02 . 2 . . . . . 716 GLN HG3 . 50108 1 282 . 1 . 1 30 30 GLN HE21 H 1 6.400 0.02 . 1 . . . . . 716 GLN HE21 . 50108 1 283 . 1 . 1 30 30 GLN HE22 H 1 7.399 0.02 . 1 . . . . . 716 GLN HE22 . 50108 1 284 . 1 . 1 30 30 GLN CA C 13 54.403 0.1 . 1 . . . . . 716 GLN CA . 50108 1 285 . 1 . 1 30 30 GLN CB C 13 28.927 0.1 . 1 . . . . . 716 GLN CB . 50108 1 286 . 1 . 1 30 30 GLN CG C 13 33.080 0.1 . 1 . . . . . 716 GLN CG . 50108 1 287 . 1 . 1 30 30 GLN N N 15 125.909 0.1 . 1 . . . . . 716 GLN N . 50108 1 288 . 1 . 1 30 30 GLN NE2 N 15 110.684 0.1 . 1 . . . . . 716 GLN NE2 . 50108 1 289 . 1 . 1 31 31 CYS HA H 1 4.855 0.02 . 1 . . . . . 717 CYS HA . 50108 1 290 . 1 . 1 32 32 PRO HA H 1 4.319 0.02 . 1 . . . . . 718 PRO HA . 50108 1 291 . 1 . 1 32 32 PRO HB2 H 1 1.917 0.02 . 2 . . . . . 718 PRO HB2 . 50108 1 292 . 1 . 1 32 32 PRO HB3 H 1 2.463 0.02 . 2 . . . . . 718 PRO HB3 . 50108 1 293 . 1 . 1 32 32 PRO HG2 H 1 2.173 0.02 . 2 . . . . . 718 PRO HG2 . 50108 1 294 . 1 . 1 32 32 PRO HG3 H 1 2.034 0.02 . 2 . . . . . 718 PRO HG3 . 50108 1 295 . 1 . 1 32 32 PRO HD2 H 1 3.962 0.02 . 2 . . . . . 718 PRO HD2 . 50108 1 296 . 1 . 1 32 32 PRO HD3 H 1 3.684 0.02 . 2 . . . . . 718 PRO HD3 . 50108 1 297 . 1 . 1 32 32 PRO CA C 13 65.624 0.1 . 1 . . . . . 718 PRO CA . 50108 1 298 . 1 . 1 32 32 PRO CB C 13 32.169 0.1 . 1 . . . . . 718 PRO CB . 50108 1 299 . 1 . 1 32 32 PRO CG C 13 28.167 0.1 . 1 . . . . . 718 PRO CG . 50108 1 300 . 1 . 1 32 32 PRO CD C 13 50.247 0.1 . 1 . . . . . 718 PRO CD . 50108 1 301 . 1 . 1 33 33 LYS H H 1 8.716 0.02 . 1 . . . . . 719 LYS HN . 50108 1 302 . 1 . 1 33 33 LYS HA H 1 4.227 0.02 . 1 . . . . . 719 LYS HA . 50108 1 303 . 1 . 1 33 33 LYS HB2 H 1 1.898 0.02 . 2 . . . . . 719 LYS HB2 . 50108 1 304 . 1 . 1 33 33 LYS HB3 H 1 1.850 0.02 . 2 . . . . . 719 LYS HB3 . 50108 1 305 . 1 . 1 33 33 LYS HG2 H 1 1.546 0.02 . 2 . . . . . 719 LYS HG2 . 50108 1 306 . 1 . 1 33 33 LYS HG3 H 1 1.434 0.02 . 2 . . . . . 719 LYS HG3 . 50108 1 307 . 1 . 1 33 33 LYS HD2 H 1 1.675 0.02 . 2 . . . . . 719 LYS HD2 . 50108 1 308 . 1 . 1 33 33 LYS HE2 H 1 2.985 0.02 . 2 . . . . . 719 LYS HE2 . 50108 1 309 . 1 . 1 33 33 LYS CA C 13 58.537 0.1 . 1 . . . . . 719 LYS CA . 50108 1 310 . 1 . 1 33 33 LYS CB C 13 33.510 0.1 . 1 . . . . . 719 LYS CB . 50108 1 311 . 1 . 1 33 33 LYS CG C 13 25.091 0.1 . 1 . . . . . 719 LYS CG . 50108 1 312 . 1 . 1 33 33 LYS CD C 13 29.308 0.1 . 1 . . . . . 719 LYS CD . 50108 1 313 . 1 . 1 33 33 LYS CE C 13 42.054 0.1 . 1 . . . . . 719 LYS CE . 50108 1 314 . 1 . 1 33 33 LYS N N 15 118.174 0.1 . 1 . . . . . 719 LYS N . 50108 1 315 . 1 . 1 34 34 CYS H H 1 7.932 0.02 . 1 . . . . . 720 CYS HN . 50108 1 316 . 1 . 1 34 34 CYS HA H 1 4.157 0.02 . 1 . . . . . 720 CYS HA . 50108 1 317 . 1 . 1 34 34 CYS HB2 H 1 2.973 0.02 . 2 . . . . . 720 CYS HB2 . 50108 1 318 . 1 . 1 34 34 CYS HB3 H 1 2.547 0.02 . 2 . . . . . 720 CYS HB3 . 50108 1 319 . 1 . 1 34 34 CYS CA C 13 62.433 0.1 . 1 . . . . . 720 CYS CA . 50108 1 320 . 1 . 1 34 34 CYS CB C 13 32.361 0.1 . 1 . . . . . 720 CYS CB . 50108 1 321 . 1 . 1 34 34 CYS N N 15 123.434 0.1 . 1 . . . . . 720 CYS N . 50108 1 322 . 1 . 1 35 35 ALA H H 1 8.742 0.02 . 1 . . . . . 721 ALA HN . 50108 1 323 . 1 . 1 35 35 ALA HA H 1 4.318 0.02 . 1 . . . . . 721 ALA HA . 50108 1 324 . 1 . 1 35 35 ALA HB1 H 1 1.313 0.02 . 1 . . . . . 721 ALA HB . 50108 1 325 . 1 . 1 35 35 ALA HB2 H 1 1.313 0.02 . 1 . . . . . 721 ALA HB . 50108 1 326 . 1 . 1 35 35 ALA HB3 H 1 1.313 0.02 . 1 . . . . . 721 ALA HB . 50108 1 327 . 1 . 1 35 35 ALA CA C 13 54.199 0.1 . 1 . . . . . 721 ALA CA . 50108 1 328 . 1 . 1 35 35 ALA CB C 13 16.845 0.1 . 1 . . . . . 721 ALA CB . 50108 1 329 . 1 . 1 35 35 ALA N N 15 122.245 0.1 . 1 . . . . . 721 ALA N . 50108 1 330 . 1 . 1 36 36 PRO HA H 1 4.371 0.02 . 1 . . . . . 722 PRO HA . 50108 1 331 . 1 . 1 36 36 PRO HB2 H 1 2.359 0.02 . 2 . . . . . 722 PRO HB2 . 50108 1 332 . 1 . 1 36 36 PRO HB3 H 1 1.894 0.02 . 2 . . . . . 722 PRO HB3 . 50108 1 333 . 1 . 1 36 36 PRO HG2 H 1 2.074 0.02 . 2 . . . . . 722 PRO HG2 . 50108 1 334 . 1 . 1 36 36 PRO HG3 H 1 2.002 0.02 . 2 . . . . . 722 PRO HG3 . 50108 1 335 . 1 . 1 36 36 PRO HD2 H 1 3.598 0.02 . 2 . . . . . 722 PRO HD2 . 50108 1 336 . 1 . 1 36 36 PRO HD3 H 1 3.493 0.02 . 2 . . . . . 722 PRO HD3 . 50108 1 337 . 1 . 1 36 36 PRO CA C 13 65.078 0.1 . 1 . . . . . 722 PRO CA . 50108 1 338 . 1 . 1 36 36 PRO CB C 13 31.387 0.1 . 1 . . . . . 722 PRO CB . 50108 1 339 . 1 . 1 36 36 PRO CG C 13 28.172 0.1 . 1 . . . . . 722 PRO CG . 50108 1 340 . 1 . 1 36 36 PRO CD C 13 50.715 0.1 . 1 . . . . . 722 PRO CD . 50108 1 341 . 1 . 1 37 37 ALA H H 1 7.849 0.02 . 1 . . . . . 723 ALA HN . 50108 1 342 . 1 . 1 37 37 ALA HA H 1 4.290 0.02 . 1 . . . . . 723 ALA HA . 50108 1 343 . 1 . 1 37 37 ALA HB1 H 1 1.528 0.02 . 1 . . . . . 723 ALA HB . 50108 1 344 . 1 . 1 37 37 ALA HB2 H 1 1.528 0.02 . 1 . . . . . 723 ALA HB . 50108 1 345 . 1 . 1 37 37 ALA HB3 H 1 1.528 0.02 . 1 . . . . . 723 ALA HB . 50108 1 346 . 1 . 1 37 37 ALA CA C 13 53.497 0.1 . 1 . . . . . 723 ALA CA . 50108 1 347 . 1 . 1 37 37 ALA CB C 13 19.136 0.1 . 1 . . . . . 723 ALA CB . 50108 1 348 . 1 . 1 37 37 ALA N N 15 121.178 0.1 . 1 . . . . . 723 ALA N . 50108 1 349 . 1 . 1 38 38 GLN H H 1 8.237 0.02 . 1 . . . . . 724 GLN HN . 50108 1 350 . 1 . 1 38 38 GLN HA H 1 4.326 0.02 . 1 . . . . . 724 GLN HA . 50108 1 351 . 1 . 1 38 38 GLN HB2 H 1 2.058 0.02 . 2 . . . . . 724 GLN HB2 . 50108 1 352 . 1 . 1 38 38 GLN HB3 H 1 1.943 0.02 . 2 . . . . . 724 GLN HB3 . 50108 1 353 . 1 . 1 38 38 GLN HG2 H 1 2.303 0.02 . 2 . . . . . 724 GLN HG2 . 50108 1 354 . 1 . 1 38 38 GLN HG3 H 1 2.372 0.02 . 2 . . . . . 724 GLN HG3 . 50108 1 355 . 1 . 1 38 38 GLN HE21 H 1 6.596 0.02 . 1 . . . . . 724 GLN HE21 . 50108 1 356 . 1 . 1 38 38 GLN HE22 H 1 7.275 0.02 . 1 . . . . . 724 GLN HE22 . 50108 1 357 . 1 . 1 38 38 GLN CA C 13 57.280 0.1 . 1 . . . . . 724 GLN CA . 50108 1 358 . 1 . 1 38 38 GLN CB C 13 28.646 0.1 . 1 . . . . . 724 GLN CB . 50108 1 359 . 1 . 1 38 38 GLN CG C 13 32.641 0.1 . 1 . . . . . 724 GLN CG . 50108 1 360 . 1 . 1 38 38 GLN N N 15 118.568 0.1 . 1 . . . . . 724 GLN N . 50108 1 361 . 1 . 1 38 38 GLN NE2 N 15 111.502 0.1 . 1 . . . . . 724 GLN NE2 . 50108 1 362 . 1 . 1 39 39 LYS H H 1 8.065 0.02 . 1 . . . . . 725 LYS HN . 50108 1 363 . 1 . 1 39 39 LYS HA H 1 4.217 0.02 . 1 . . . . . 725 LYS HA . 50108 1 364 . 1 . 1 39 39 LYS HB2 H 1 1.899 0.02 . 2 . . . . . 725 LYS HB2 . 50108 1 365 . 1 . 1 39 39 LYS HB3 H 1 1.829 0.02 . 2 . . . . . 725 LYS HB3 . 50108 1 366 . 1 . 1 39 39 LYS HG2 H 1 1.530 0.02 . 2 . . . . . 725 LYS HG2 . 50108 1 367 . 1 . 1 39 39 LYS HG3 H 1 1.446 0.02 . 2 . . . . . 725 LYS HG3 . 50108 1 368 . 1 . 1 39 39 LYS HD2 H 1 1.696 0.02 . 2 . . . . . 725 LYS HD2 . 50108 1 369 . 1 . 1 39 39 LYS HE2 H 1 3.003 0.02 . 2 . . . . . 725 LYS HE2 . 50108 1 370 . 1 . 1 39 39 LYS CA C 13 57.382 0.1 . 1 . . . . . 725 LYS CA . 50108 1 371 . 1 . 1 39 39 LYS CB C 13 32.631 0.1 . 1 . . . . . 725 LYS CB . 50108 1 372 . 1 . 1 39 39 LYS CG C 13 24.974 0.1 . 1 . . . . . 725 LYS CG . 50108 1 373 . 1 . 1 39 39 LYS CD C 13 29.182 0.1 . 1 . . . . . 725 LYS CD . 50108 1 374 . 1 . 1 39 39 LYS CE C 13 42.226 0.1 . 1 . . . . . 725 LYS CE . 50108 1 375 . 1 . 1 39 39 LYS N N 15 120.340 0.1 . 1 . . . . . 725 LYS N . 50108 1 376 . 1 . 1 40 40 ARG H H 1 7.968 0.02 . 1 . . . . . 726 ARG HN . 50108 1 377 . 1 . 1 40 40 ARG HA H 1 4.272 0.02 . 1 . . . . . 726 ARG HA . 50108 1 378 . 1 . 1 40 40 ARG HB2 H 1 1.851 0.02 . 2 . . . . . 726 ARG HB2 . 50108 1 379 . 1 . 1 40 40 ARG HB3 H 1 1.883 0.02 . 2 . . . . . 726 ARG HB3 . 50108 1 380 . 1 . 1 40 40 ARG HG2 H 1 1.719 0.02 . 2 . . . . . 726 ARG HG2 . 50108 1 381 . 1 . 1 40 40 ARG HG3 H 1 1.629 0.02 . 2 . . . . . 726 ARG HG3 . 50108 1 382 . 1 . 1 40 40 ARG HD2 H 1 3.243 0.02 . 2 . . . . . 726 ARG HD2 . 50108 1 383 . 1 . 1 40 40 ARG CA C 13 57.024 0.1 . 1 . . . . . 726 ARG CA . 50108 1 384 . 1 . 1 40 40 ARG CB C 13 30.585 0.1 . 1 . . . . . 726 ARG CB . 50108 1 385 . 1 . 1 40 40 ARG CG C 13 27.470 0.1 . 1 . . . . . 726 ARG CG . 50108 1 386 . 1 . 1 40 40 ARG CD C 13 43.466 0.1 . 1 . . . . . 726 ARG CD . 50108 1 387 . 1 . 1 40 40 ARG N N 15 120.296 0.1 . 1 . . . . . 726 ARG N . 50108 1 388 . 1 . 1 41 41 LEU H H 1 8.041 0.02 . 1 . . . . . 727 LEU HN . 50108 1 389 . 1 . 1 41 41 LEU HA H 1 4.327 0.02 . 1 . . . . . 727 LEU HA . 50108 1 390 . 1 . 1 41 41 LEU HB2 H 1 1.642 0.02 . 2 . . . . . 727 LEU HB2 . 50108 1 391 . 1 . 1 41 41 LEU HB3 H 1 1.731 0.02 . 2 . . . . . 727 LEU HB3 . 50108 1 392 . 1 . 1 41 41 LEU HG H 1 1.616 0.02 . 1 . . . . . 727 LEU HG . 50108 1 393 . 1 . 1 41 41 LEU HD11 H 1 0.979 0.02 . 2 . . . . . 727 LEU HD1 . 50108 1 394 . 1 . 1 41 41 LEU HD12 H 1 0.979 0.02 . 2 . . . . . 727 LEU HD1 . 50108 1 395 . 1 . 1 41 41 LEU HD13 H 1 0.979 0.02 . 2 . . . . . 727 LEU HD1 . 50108 1 396 . 1 . 1 41 41 LEU HD21 H 1 0.923 0.02 . 2 . . . . . 727 LEU HD2 . 50108 1 397 . 1 . 1 41 41 LEU HD22 H 1 0.923 0.02 . 2 . . . . . 727 LEU HD2 . 50108 1 398 . 1 . 1 41 41 LEU HD23 H 1 0.923 0.02 . 2 . . . . . 727 LEU HD2 . 50108 1 399 . 1 . 1 41 41 LEU CA C 13 55.343 0.1 . 1 . . . . . 727 LEU CA . 50108 1 400 . 1 . 1 41 41 LEU CB C 13 42.432 0.1 . 1 . . . . . 727 LEU CB . 50108 1 401 . 1 . 1 41 41 LEU CG C 13 27.060 0.1 . 1 . . . . . 727 LEU CG . 50108 1 402 . 1 . 1 41 41 LEU CD1 C 13 25.095 0.1 . 2 . . . . . 727 LEU CD1 . 50108 1 403 . 1 . 1 41 41 LEU CD2 C 13 23.467 0.1 . 2 . . . . . 727 LEU CD2 . 50108 1 404 . 1 . 1 41 41 LEU N N 15 121.883 0.1 . 1 . . . . . 727 LEU N . 50108 1 405 . 1 . 1 42 42 ALA H H 1 8.013 0.02 . 1 . . . . . 728 ALA HN . 50108 1 406 . 1 . 1 42 42 ALA HA H 1 4.304 0.02 . 1 . . . . . 728 ALA HA . 50108 1 407 . 1 . 1 42 42 ALA HB1 H 1 1.417 0.02 . 1 . . . . . 728 ALA HB . 50108 1 408 . 1 . 1 42 42 ALA HB2 H 1 1.417 0.02 . 1 . . . . . 728 ALA HB . 50108 1 409 . 1 . 1 42 42 ALA HB3 H 1 1.417 0.02 . 1 . . . . . 728 ALA HB . 50108 1 410 . 1 . 1 42 42 ALA CA C 13 52.614 0.1 . 1 . . . . . 728 ALA CA . 50108 1 411 . 1 . 1 42 42 ALA CB C 13 19.173 0.1 . 1 . . . . . 728 ALA CB . 50108 1 412 . 1 . 1 42 42 ALA N N 15 123.851 0.1 . 1 . . . . . 728 ALA N . 50108 1 413 . 1 . 1 43 43 LYS H H 1 8.142 0.02 . 1 . . . . . 729 LYS HN . 50108 1 414 . 1 . 1 43 43 LYS HA H 1 4.331 0.02 . 1 . . . . . 729 LYS HA . 50108 1 415 . 1 . 1 43 43 LYS HB2 H 1 1.832 0.02 . 2 . . . . . 729 LYS HB2 . 50108 1 416 . 1 . 1 43 43 LYS HB3 H 1 1.762 0.02 . 2 . . . . . 729 LYS HB3 . 50108 1 417 . 1 . 1 43 43 LYS HG2 H 1 1.463 0.02 . 2 . . . . . 729 LYS HG2 . 50108 1 418 . 1 . 1 43 43 LYS HG3 H 1 1.399 0.02 . 2 . . . . . 729 LYS HG3 . 50108 1 419 . 1 . 1 43 43 LYS HD2 H 1 1.697 0.02 . 2 . . . . . 729 LYS HD2 . 50108 1 420 . 1 . 1 43 43 LYS HE2 H 1 3.204 0.02 . 2 . . . . . 729 LYS HE2 . 50108 1 421 . 1 . 1 43 43 LYS HE3 H 1 3.008 0.02 . 2 . . . . . 729 LYS HE3 . 50108 1 422 . 1 . 1 43 43 LYS CA C 13 56.190 0.1 . 1 . . . . . 729 LYS CA . 50108 1 423 . 1 . 1 43 43 LYS CB C 13 33.069 0.1 . 1 . . . . . 729 LYS CB . 50108 1 424 . 1 . 1 43 43 LYS CG C 13 24.863 0.1 . 1 . . . . . 729 LYS CG . 50108 1 425 . 1 . 1 43 43 LYS CD C 13 29.074 0.1 . 1 . . . . . 729 LYS CD . 50108 1 426 . 1 . 1 43 43 LYS CE C 13 42.199 0.1 . 1 . . . . . 729 LYS CE . 50108 1 427 . 1 . 1 43 43 LYS N N 15 120.294 0.1 . 1 . . . . . 729 LYS N . 50108 1 428 . 1 . 1 44 44 VAL H H 1 8.143 0.02 . 1 . . . . . 730 VAL HN . 50108 1 429 . 1 . 1 44 44 VAL HA H 1 4.424 0.02 . 1 . . . . . 730 VAL HA . 50108 1 430 . 1 . 1 44 44 VAL HB H 1 2.098 0.02 . 1 . . . . . 730 VAL HB . 50108 1 431 . 1 . 1 44 44 VAL HG11 H 1 1.002 0.02 . 2 . . . . . 730 VAL HG1 . 50108 1 432 . 1 . 1 44 44 VAL HG12 H 1 1.002 0.02 . 2 . . . . . 730 VAL HG1 . 50108 1 433 . 1 . 1 44 44 VAL HG13 H 1 1.002 0.02 . 2 . . . . . 730 VAL HG1 . 50108 1 434 . 1 . 1 44 44 VAL HG21 H 1 0.967 0.02 . 2 . . . . . 730 VAL HG2 . 50108 1 435 . 1 . 1 44 44 VAL HG22 H 1 0.967 0.02 . 2 . . . . . 730 VAL HG2 . 50108 1 436 . 1 . 1 44 44 VAL HG23 H 1 0.967 0.02 . 2 . . . . . 730 VAL HG2 . 50108 1 437 . 1 . 1 44 44 VAL CA C 13 59.958 0.1 . 1 . . . . . 730 VAL CA . 50108 1 438 . 1 . 1 44 44 VAL CB C 13 32.639 0.1 . 1 . . . . . 730 VAL CB . 50108 1 439 . 1 . 1 44 44 VAL CG1 C 13 21.050 0.1 . 2 . . . . . 730 VAL CG1 . 50108 1 440 . 1 . 1 44 44 VAL CG2 C 13 20.410 0.1 . 2 . . . . . 730 VAL CG2 . 50108 1 441 . 1 . 1 44 44 VAL N N 15 123.007 0.1 . 1 . . . . . 730 VAL N . 50108 1 442 . 1 . 1 45 45 PRO HA H 1 4.419 0.02 . 1 . . . . . 731 PRO HA . 50108 1 443 . 1 . 1 45 45 PRO HB2 H 1 2.318 0.02 . 2 . . . . . 731 PRO HB2 . 50108 1 444 . 1 . 1 45 45 PRO HB3 H 1 1.948 0.02 . 2 . . . . . 731 PRO HB3 . 50108 1 445 . 1 . 1 45 45 PRO HG2 H 1 2.047 0.02 . 2 . . . . . 731 PRO HG2 . 50108 1 446 . 1 . 1 45 45 PRO HG3 H 1 1.992 0.02 . 2 . . . . . 731 PRO HG3 . 50108 1 447 . 1 . 1 45 45 PRO HD2 H 1 3.887 0.02 . 2 . . . . . 731 PRO HD2 . 50108 1 448 . 1 . 1 45 45 PRO HD3 H 1 3.688 0.02 . 2 . . . . . 731 PRO HD3 . 50108 1 449 . 1 . 1 45 45 PRO CA C 13 63.105 0.1 . 1 . . . . . 731 PRO CA . 50108 1 450 . 1 . 1 45 45 PRO CB C 13 32.169 0.1 . 1 . . . . . 731 PRO CB . 50108 1 451 . 1 . 1 45 45 PRO CG C 13 27.426 0.1 . 1 . . . . . 731 PRO CG . 50108 1 452 . 1 . 1 45 45 PRO CD C 13 51.098 0.1 . 1 . . . . . 731 PRO CD . 50108 1 453 . 1 . 1 46 46 ALA H H 1 8.464 0.02 . 1 . . . . . 732 ALA HN . 50108 1 454 . 1 . 1 46 46 ALA HA H 1 4.315 0.02 . 1 . . . . . 732 ALA HA . 50108 1 455 . 1 . 1 46 46 ALA HB1 H 1 1.433 0.02 . 1 . . . . . 732 ALA HB . 50108 1 456 . 1 . 1 46 46 ALA HB2 H 1 1.433 0.02 . 1 . . . . . 732 ALA HB . 50108 1 457 . 1 . 1 46 46 ALA HB3 H 1 1.433 0.02 . 1 . . . . . 732 ALA HB . 50108 1 458 . 1 . 1 46 46 ALA CA C 13 52.831 0.1 . 1 . . . . . 732 ALA CA . 50108 1 459 . 1 . 1 46 46 ALA CB C 13 19.164 0.1 . 1 . . . . . 732 ALA CB . 50108 1 460 . 1 . 1 46 46 ALA N N 15 124.684 0.1 . 1 . . . . . 732 ALA N . 50108 1 461 . 1 . 1 47 47 SER H H 1 8.285 0.02 . 1 . . . . . 733 SER HN . 50108 1 462 . 1 . 1 47 47 SER HA H 1 4.431 0.02 . 1 . . . . . 733 SER HA . 50108 1 463 . 1 . 1 47 47 SER HB2 H 1 3.921 0.02 . 2 . . . . . 733 SER HB2 . 50108 1 464 . 1 . 1 47 47 SER HB3 H 1 3.880 0.02 . 2 . . . . . 733 SER HB3 . 50108 1 465 . 1 . 1 47 47 SER CA C 13 58.643 0.1 . 1 . . . . . 733 SER CA . 50108 1 466 . 1 . 1 47 47 SER CB C 13 63.987 0.1 . 1 . . . . . 733 SER CB . 50108 1 467 . 1 . 1 47 47 SER N N 15 114.452 0.1 . 1 . . . . . 733 SER N . 50108 1 468 . 1 . 1 48 48 GLY H H 1 8.403 0.02 . 1 . . . . . 734 GLY HN . 50108 1 469 . 1 . 1 48 48 GLY HA2 H 1 3.996 0.02 . 2 . . . . . 734 GLY HA1 . 50108 1 470 . 1 . 1 48 48 GLY HA3 H 1 3.879 0.02 . 2 . . . . . 734 GLY HA2 . 50108 1 471 . 1 . 1 48 48 GLY CA C 13 45.402 0.1 . 1 . . . . . 734 GLY CA . 50108 1 472 . 1 . 1 48 48 GLY N N 15 110.482 0.1 . 1 . . . . . 734 GLY N . 50108 1 473 . 1 . 1 49 49 LEU H H 1 8.138 0.02 . 1 . . . . . 735 LEU HN . 50108 1 474 . 1 . 1 49 49 LEU HA H 1 4.368 0.02 . 1 . . . . . 735 LEU HA . 50108 1 475 . 1 . 1 49 49 LEU HB2 H 1 1.668 0.02 . 2 . . . . . 735 LEU HB2 . 50108 1 476 . 1 . 1 49 49 LEU HB3 H 1 1.618 0.02 . 2 . . . . . 735 LEU HB3 . 50108 1 477 . 1 . 1 49 49 LEU HD11 H 1 0.941 0.02 . 2 . . . . . 735 LEU HD1 . 50108 1 478 . 1 . 1 49 49 LEU HD12 H 1 0.941 0.02 . 2 . . . . . 735 LEU HD1 . 50108 1 479 . 1 . 1 49 49 LEU HD13 H 1 0.941 0.02 . 2 . . . . . 735 LEU HD1 . 50108 1 480 . 1 . 1 49 49 LEU HD21 H 1 0.885 0.02 . 2 . . . . . 735 LEU HD2 . 50108 1 481 . 1 . 1 49 49 LEU HD22 H 1 0.885 0.02 . 2 . . . . . 735 LEU HD2 . 50108 1 482 . 1 . 1 49 49 LEU HD23 H 1 0.885 0.02 . 2 . . . . . 735 LEU HD2 . 50108 1 483 . 1 . 1 49 49 LEU CA C 13 55.298 0.1 . 1 . . . . . 735 LEU CA . 50108 1 484 . 1 . 1 49 49 LEU CB C 13 42.517 0.1 . 1 . . . . . 735 LEU CB . 50108 1 485 . 1 . 1 49 49 LEU CG C 13 27.030 0.1 . 1 . . . . . 735 LEU CG . 50108 1 486 . 1 . 1 49 49 LEU CD1 C 13 24.934 0.1 . 2 . . . . . 735 LEU CD1 . 50108 1 487 . 1 . 1 49 49 LEU CD2 C 13 23.348 0.1 . 2 . . . . . 735 LEU CD2 . 50108 1 488 . 1 . 1 49 49 LEU N N 15 121.335 0.1 . 1 . . . . . 735 LEU N . 50108 1 489 . 1 . 1 50 50 GLY H H 1 8.471 0.02 . 1 . . . . . 736 GLY HN . 50108 1 490 . 1 . 1 50 50 GLY HA2 H 1 3.956 0.02 . 2 . . . . . 736 GLY HA1 . 50108 1 491 . 1 . 1 50 50 GLY HA3 H 1 4.061 0.02 . 2 . . . . . 736 GLY HA2 . 50108 1 492 . 1 . 1 50 50 GLY CA C 13 45.437 0.1 . 1 . . . . . 736 GLY CA . 50108 1 493 . 1 . 1 50 50 GLY N N 15 109.714 0.1 . 1 . . . . . 736 GLY N . 50108 1 494 . 1 . 1 51 51 VAL H H 1 7.910 0.02 . 1 . . . . . 737 VAL HN . 50108 1 495 . 1 . 1 51 51 VAL HA H 1 4.136 0.02 . 1 . . . . . 737 VAL HA . 50108 1 496 . 1 . 1 51 51 VAL HB H 1 2.083 0.02 . 1 . . . . . 737 VAL HB . 50108 1 497 . 1 . 1 51 51 VAL HG11 H 1 0.910 0.02 . 2 . . . . . 737 VAL HG1 . 50108 1 498 . 1 . 1 51 51 VAL HG12 H 1 0.910 0.02 . 2 . . . . . 737 VAL HG1 . 50108 1 499 . 1 . 1 51 51 VAL HG13 H 1 0.910 0.02 . 2 . . . . . 737 VAL HG1 . 50108 1 500 . 1 . 1 51 51 VAL CA C 13 62.310 0.1 . 1 . . . . . 737 VAL CA . 50108 1 501 . 1 . 1 51 51 VAL CB C 13 32.818 0.1 . 1 . . . . . 737 VAL CB . 50108 1 502 . 1 . 1 51 51 VAL CG1 C 13 20.317 0.1 . 2 . . . . . 737 VAL CG1 . 50108 1 503 . 1 . 1 51 51 VAL CG2 C 13 21.090 0.1 . 2 . . . . . 737 VAL CG2 . 50108 1 504 . 1 . 1 51 51 VAL N N 15 118.669 0.1 . 1 . . . . . 737 VAL N . 50108 1 505 . 1 . 1 52 52 ASN H H 1 8.575 0.02 . 1 . . . . . 738 ASN HN . 50108 1 506 . 1 . 1 52 52 ASN HA H 1 4.782 0.02 . 1 . . . . . 738 ASN HA . 50108 1 507 . 1 . 1 52 52 ASN HB2 H 1 2.749 0.02 . 2 . . . . . 738 ASN HB2 . 50108 1 508 . 1 . 1 52 52 ASN HB3 H 1 2.849 0.02 . 2 . . . . . 738 ASN HB3 . 50108 1 509 . 1 . 1 52 52 ASN HD21 H 1 6.915 0.02 . 2 . . . . . 738 ASN HD21 . 50108 1 510 . 1 . 1 52 52 ASN HD22 H 1 7.595 0.02 . 2 . . . . . 738 ASN HD22 . 50108 1 511 . 1 . 1 52 52 ASN CA C 13 53.267 0.1 . 1 . . . . . 738 ASN CA . 50108 1 512 . 1 . 1 52 52 ASN CB C 13 38.896 0.1 . 1 . . . . . 738 ASN CB . 50108 1 513 . 1 . 1 52 52 ASN N N 15 122.402 0.1 . 1 . . . . . 738 ASN N . 50108 1 514 . 1 . 1 52 52 ASN ND2 N 15 113.043 0.1 . 1 . . . . . 738 ASN ND2 . 50108 1 515 . 1 . 1 53 53 VAL H H 1 8.158 0.02 . 1 . . . . . 739 VAL HN . 50108 1 516 . 1 . 1 53 53 VAL HA H 1 4.220 0.02 . 1 . . . . . 739 VAL HA . 50108 1 517 . 1 . 1 53 53 VAL HB H 1 2.134 0.02 . 1 . . . . . 739 VAL HB . 50108 1 518 . 1 . 1 53 53 VAL HG11 H 1 0.938 0.02 . 2 . . . . . 739 VAL HG1 . 50108 1 519 . 1 . 1 53 53 VAL HG12 H 1 0.938 0.02 . 2 . . . . . 739 VAL HG1 . 50108 1 520 . 1 . 1 53 53 VAL HG13 H 1 0.938 0.02 . 2 . . . . . 739 VAL HG1 . 50108 1 521 . 1 . 1 53 53 VAL CA C 13 62.470 0.1 . 1 . . . . . 739 VAL CA . 50108 1 522 . 1 . 1 53 53 VAL CB C 13 32.796 0.1 . 1 . . . . . 739 VAL CB . 50108 1 523 . 1 . 1 53 53 VAL CG1 C 13 20.363 0.1 . 2 . . . . . 739 VAL CG1 . 50108 1 524 . 1 . 1 53 53 VAL CG2 C 13 21.277 0.1 . 2 . . . . . 739 VAL CG2 . 50108 1 525 . 1 . 1 53 53 VAL N N 15 120.547 0.1 . 1 . . . . . 739 VAL N . 50108 1 526 . 1 . 1 54 54 THR H H 1 8.289 0.02 . 1 . . . . . 740 THR HN . 50108 1 527 . 1 . 1 54 54 THR HA H 1 4.434 0.02 . 1 . . . . . 740 THR HA . 50108 1 528 . 1 . 1 54 54 THR HB H 1 4.249 0.02 . 1 . . . . . 740 THR HB . 50108 1 529 . 1 . 1 54 54 THR HG21 H 1 1.205 0.02 . 1 . . . . . 740 THR HG2 . 50108 1 530 . 1 . 1 54 54 THR HG22 H 1 1.205 0.02 . 1 . . . . . 740 THR HG2 . 50108 1 531 . 1 . 1 54 54 THR HG23 H 1 1.205 0.02 . 1 . . . . . 740 THR HG2 . 50108 1 532 . 1 . 1 54 54 THR CA C 13 61.807 0.1 . 1 . . . . . 740 THR CA . 50108 1 533 . 1 . 1 54 54 THR CB C 13 69.950 0.1 . 1 . . . . . 740 THR CB . 50108 1 534 . 1 . 1 54 54 THR CG2 C 13 21.680 0.1 . 1 . . . . . 740 THR CG2 . 50108 1 535 . 1 . 1 54 54 THR N N 15 117.390 0.1 . 1 . . . . . 740 THR N . 50108 1 536 . 1 . 1 55 55 SER H H 1 8.324 0.02 . 1 . . . . . 741 SER HN . 50108 1 537 . 1 . 1 55 55 SER HA H 1 4.479 0.02 . 1 . . . . . 741 SER HA . 50108 1 538 . 1 . 1 55 55 SER HB2 H 1 3.853 0.02 . 2 . . . . . 741 SER HB2 . 50108 1 539 . 1 . 1 55 55 SER HB3 H 1 3.913 0.02 . 2 . . . . . 741 SER HB3 . 50108 1 540 . 1 . 1 55 55 SER CA C 13 58.397 0.1 . 1 . . . . . 741 SER CA . 50108 1 541 . 1 . 1 55 55 SER CB C 13 63.945 0.1 . 1 . . . . . 741 SER CB . 50108 1 542 . 1 . 1 55 55 SER N N 15 117.945 0.1 . 1 . . . . . 741 SER N . 50108 1 543 . 1 . 1 56 56 GLN H H 1 8.519 0.02 . 1 . . . . . 742 GLN HN . 50108 1 544 . 1 . 1 56 56 GLN HA H 1 4.374 0.02 . 1 . . . . . 742 GLN HA . 50108 1 545 . 1 . 1 56 56 GLN HB2 H 1 2.152 0.02 . 2 . . . . . 742 GLN HB2 . 50108 1 546 . 1 . 1 56 56 GLN HB3 H 1 1.988 0.02 . 2 . . . . . 742 GLN HB3 . 50108 1 547 . 1 . 1 56 56 GLN HG2 H 1 2.361 0.02 . 2 . . . . . 742 GLN HG2 . 50108 1 548 . 1 . 1 56 56 GLN HE21 H 1 7.513 0.02 . 1 . . . . . 742 GLN HE21 . 50108 1 549 . 1 . 1 56 56 GLN HE22 H 1 6.836 0.02 . 1 . . . . . 742 GLN HE22 . 50108 1 550 . 1 . 1 56 56 GLN CA C 13 56.116 0.1 . 1 . . . . . 742 GLN CA . 50108 1 551 . 1 . 1 56 56 GLN CB C 13 29.373 0.1 . 1 . . . . . 742 GLN CB . 50108 1 552 . 1 . 1 56 56 GLN CG C 13 33.827 0.1 . 1 . . . . . 742 GLN CG . 50108 1 553 . 1 . 1 56 56 GLN N N 15 122.341 0.1 . 1 . . . . . 742 GLN N . 50108 1 554 . 1 . 1 56 56 GLN NE2 N 15 112.464 0.1 . 1 . . . . . 742 GLN NE2 . 50108 1 555 . 1 . 1 57 57 ASP H H 1 8.316 0.02 . 1 . . . . . 743 ASP HN . 50108 1 556 . 1 . 1 57 57 ASP HA H 1 4.611 0.02 . 1 . . . . . 743 ASP HA . 50108 1 557 . 1 . 1 57 57 ASP HB2 H 1 2.721 0.02 . 2 . . . . . 743 ASP HB2 . 50108 1 558 . 1 . 1 57 57 ASP HB3 H 1 2.606 0.02 . 2 . . . . . 743 ASP HB3 . 50108 1 559 . 1 . 1 57 57 ASP CA C 13 54.458 0.1 . 1 . . . . . 743 ASP CA . 50108 1 560 . 1 . 1 57 57 ASP CB C 13 41.238 0.1 . 1 . . . . . 743 ASP CB . 50108 1 561 . 1 . 1 57 57 ASP N N 15 120.971 0.1 . 1 . . . . . 743 ASP N . 50108 1 562 . 1 . 1 58 58 GLY H H 1 8.334 0.02 . 1 . . . . . 744 GLY HN . 50108 1 563 . 1 . 1 58 58 GLY HA2 H 1 3.991 0.02 . 2 . . . . . 744 GLY HA1 . 50108 1 564 . 1 . 1 58 58 GLY HA3 H 1 3.888 0.02 . 2 . . . . . 744 GLY HA2 . 50108 1 565 . 1 . 1 58 58 GLY CA C 13 45.532 0.1 . 1 . . . . . 744 GLY CA . 50108 1 566 . 1 . 1 58 58 GLY N N 15 109.635 0.1 . 1 . . . . . 744 GLY N . 50108 1 567 . 1 . 1 59 59 SER H H 1 8.188 0.02 . 1 . . . . . 745 SER HN . 50108 1 568 . 1 . 1 59 59 SER HA H 1 4.426 0.02 . 1 . . . . . 745 SER HA . 50108 1 569 . 1 . 1 59 59 SER HB2 H 1 3.785 0.02 . 2 . . . . . 745 SER HB2 . 50108 1 570 . 1 . 1 59 59 SER CA C 13 58.571 0.1 . 1 . . . . . 745 SER CA . 50108 1 571 . 1 . 1 59 59 SER CB C 13 64.001 0.1 . 1 . . . . . 745 SER CB . 50108 1 572 . 1 . 1 59 59 SER N N 15 115.705 0.1 . 1 . . . . . 745 SER N . 50108 1 573 . 1 . 1 60 60 SER H H 1 8.170 0.02 . 1 . . . . . 746 SER HN . 50108 1 574 . 1 . 1 60 60 SER HA H 1 4.452 0.02 . 1 . . . . . 746 SER HA . 50108 1 575 . 1 . 1 60 60 SER HB2 H 1 3.768 0.02 . 2 . . . . . 746 SER HB2 . 50108 1 576 . 1 . 1 60 60 SER HB3 H 1 3.913 0.02 . 2 . . . . . 746 SER HB3 . 50108 1 577 . 1 . 1 60 60 SER CA C 13 58.384 0.1 . 1 . . . . . 746 SER CA . 50108 1 578 . 1 . 1 60 60 SER CB C 13 64.099 0.1 . 1 . . . . . 746 SER CB . 50108 1 579 . 1 . 1 60 60 SER N N 15 117.573 0.1 . 1 . . . . . 746 SER N . 50108 1 580 . 1 . 1 61 61 TRP H H 1 7.717 0.02 . 1 . . . . . 747 TRP HN . 50108 1 581 . 1 . 1 61 61 TRP HA H 1 4.557 0.02 . 1 . . . . . 747 TRP HA . 50108 1 582 . 1 . 1 61 61 TRP HB2 H 1 3.355 0.02 . 2 . . . . . 747 TRP HB2 . 50108 1 583 . 1 . 1 61 61 TRP HB3 H 1 3.186 0.02 . 2 . . . . . 747 TRP HB3 . 50108 1 584 . 1 . 1 61 61 TRP HD1 H 1 7.202 0.02 . 1 . . . . . 747 TRP HD1 . 50108 1 585 . 1 . 1 61 61 TRP HE1 H 1 10.035 0.02 . 1 . . . . . 747 TRP HE1 . 50108 1 586 . 1 . 1 61 61 TRP HE3 H 1 7.671 0.02 . 1 . . . . . 747 TRP HE3 . 50108 1 587 . 1 . 1 61 61 TRP HZ2 H 1 7.490 0.02 . 1 . . . . . 747 TRP HZ2 . 50108 1 588 . 1 . 1 61 61 TRP HZ3 H 1 7.157 0.02 . 1 . . . . . 747 TRP HZ3 . 50108 1 589 . 1 . 1 61 61 TRP HH2 H 1 7.229 0.02 . 1 . . . . . 747 TRP HH2 . 50108 1 590 . 1 . 1 61 61 TRP CA C 13 58.554 0.1 . 1 . . . . . 747 TRP CA . 50108 1 591 . 1 . 1 61 61 TRP CB C 13 30.098 0.1 . 1 . . . . . 747 TRP CB . 50108 1 592 . 1 . 1 61 61 TRP CD1 C 13 127.010 0.1 . 1 . . . . . 747 TRP CD1 . 50108 1 593 . 1 . 1 61 61 TRP CE3 C 13 121.316 0.1 . 1 . . . . . 747 TRP CE3 . 50108 1 594 . 1 . 1 61 61 TRP CZ2 C 13 114.534 0.1 . 1 . . . . . 747 TRP CZ2 . 50108 1 595 . 1 . 1 61 61 TRP CZ3 C 13 121.896 0.1 . 1 . . . . . 747 TRP CZ3 . 50108 1 596 . 1 . 1 61 61 TRP CH2 C 13 124.462 0.1 . 1 . . . . . 747 TRP CH2 . 50108 1 597 . 1 . 1 61 61 TRP N N 15 127.800 0.1 . 1 . . . . . 747 TRP N . 50108 1 598 . 1 . 1 61 61 TRP NE1 N 15 128.687 0.1 . 1 . . . . . 747 TRP NE1 . 50108 1 stop_ save_